N-methyl-N-(3-phenyl-3-pyridin-2-ylpropyl)formamide

C16H18N2O — CID 133052758

IUPACN-methyl-N-(3-phenyl-3-pyridin-2-ylpropyl)formamide
SMILESCN(C=O)CCC(c1ccccc1)c1ccccn1
InChIInChI=1S/C16H18N2O/c1-18(13-19)12-10-15(14-7-3-2-4-8-14)16-9-5-6-11-17-16/h2-9,11,13,15H,10,12H2,1H3
InChIKeySXXHPCVDFDABHW-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.69
Rot. Bonds6

About N-methyl-N-(3-phenyl-3-pyridin-2-ylpropyl)formamide

N-methyl-N-(3-phenyl-3-pyridin-2-ylpropyl)formamide (PubChem CID 133052758) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-methyl-N-(3-phenyl-3-pyridin-2-ylpropyl)formamide.

Molecular Properties

Compound NameN-methyl-N-(3-phenyl-3-pyridin-2-ylpropyl)formamide
PubChem CID133052758
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-methyl-N-(3-phenyl-3-pyridin-2-ylpropyl)formamide
SMILESCN(C=O)CCC(c1ccccc1)c1ccccn1
InChIInChI=1S/C16H18N2O/c1-18(13-19)12-10-15(14-7-3-2-4-8-14)16-9-5-6-11-17-16/h2-9,11,13,15H,10,12H2,1H3
InChIKeySXXHPCVDFDABHW-UHFFFAOYSA-N
XLogP2.69
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-methyl-N-(3-phenyl-3-pyridin-2-ylpropyl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-phenyl-3-pyridin-2-ylpropyl)formamide?
The IUPAC name of N-methyl-N-(3-phenyl-3-pyridin-2-ylpropyl)formamide (CID 133052758) is N-methyl-N-(3-phenyl-3-pyridin-2-ylpropyl)formamide.
What is the SMILES notation for N-methyl-N-(3-phenyl-3-pyridin-2-ylpropyl)formamide?
The canonical SMILES for N-methyl-N-(3-phenyl-3-pyridin-2-ylpropyl)formamide is CN(C=O)CCC(c1ccccc1)c1ccccn1.
What is the InChIKey of N-methyl-N-(3-phenyl-3-pyridin-2-ylpropyl)formamide?
The InChIKey is SXXHPCVDFDABHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-18(13-19)12-10-15(14-7-3-2-4-8-14)16-9-5-6-11-17-16/h2-9,11,13,15H,10,12H2,1H3.
What are the key properties of N-methyl-N-(3-phenyl-3-pyridin-2-ylpropyl)formamide?
N-methyl-N-(3-phenyl-3-pyridin-2-ylpropyl)formamide has a molecular weight of 254.33 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-phenyl-3-pyridin-2-ylpropyl)formamide is sourced from PubChem (CID 133052758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).